SCHEMBL6994904

SCHEMBL6994904

CC(C)c1nc(-c2ccc(N(C)C)cc2)c2cc3c(cc2n1)OCO3

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.41
CTSB P07858 2/20 0.41
GAA P10253 3/20 0.40
MAPT P10636 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
TP53 P04637 2/20 0.40
LMNA P02545 3/20 0.39
HSD17B10 Q99714 3/20 0.39
CYP1A2 P05177 3/20 0.39
CYP2C19 P33261 3/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
CLK4 Q9HAZ1 2/20 0.39
CYP2C9 P11712 2/20 0.39
USP2 O75604 1/20 0.39
ALOX15 P16050 1/20 0.39
ADK P55263 2/20 0.38
ALDH1A1 P00352 3/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7002519 0.81 TRPV1 (0.44) CTSLCTSBMAPTSMN1; SMN2LMNA
SCHEMBL3520408 0.76 LMNA (0.42) CTSLCTSBMAPTSMN1; SMN2LMNA
SCHEMBL7000169 0.73 ALOX5 (0.43) GAAMAPTSMN1; SMN2TP53LMNA
SCHEMBL3525020 0.73 CASR (0.53)
SCHEMBL3520143 0.73 CLK4 (0.49) CTSLCTSBMAPTSMN1; SMN2LMNA
SCHEMBL3588630 0.69 MEN1 (0.39) GAAMAPTSMN1; SMN2TP53LMNA
SCHEMBL3524599 0.69 MAOA (0.44) GAAMAPTSMN1; SMN2LMNAHSD17B10
SCHEMBL3522236 0.68 LMNA (0.40) CTSLCTSBLMNAHSD17B10CYP1A2
SCHEMBL3525053 0.68 ALDH1A1 (0.50) CTSLCTSBMAPTSMN1; SMN2LMNA
SCHEMBL11469001 0.68 CYP1A2 (0.58) GAAMAPTSMN1; SMN2TP53LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1066039-A4 SUBSTITUTED QUINAZOLINES AND ANALOGS AND THE USE THEREOF COCENSYS INC (US) 2003-02-26 EP disclosed
EP-1066039-A1 SUBSTITUTED QUINAZOLINES AND ANALOGS AND THE USE THEREOF Cocensys, Inc. (US) 2001-01-10 EP disclosed
WO-1999044612-A1 SUBSTITUTED QUINAZOLINES AND ANALOGS AND THE USE THEREOF COCENSYS, INC. (US) 1999-09-10 WO disclosed